6-Methyl-[1,2,4]triazolo[4,3-b]pyridazine
Basic information
- CAS
18591-78-1- Standard SMILES
Cc1ccc2nncn2n1- InChIKey
YGHABLOINYBGJN-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924621
Names & identifiers
- Preferred name
- 6-Methyl-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
- English name
- 6-Methyl-1,2,4-triazolo[4,3-b]pyridazine
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
6-methyl-[1,2,4]triazolo[4,3-b]pyridazine18591-78-16-Methyl[1,2,4]triazolo[4,3-b]pyridazine6-Methyl-1,2,4-triazolo[4,3-b]pyridazineMFCD00493766s-Triazolo[4,3-b]pyridazine, 6-methyl-1,2,4-Triazolo[4,3-b]pyridazine, 6-methyl-SCHEMBL2736703DTXSID40342734YGHABLOINYBGJN-UHFFFAOYSA-NAKOS0230934706-Methyl-s-triazolo[4,3-b]pyridazine
Show more names
PS-5080CS-0081616D743456-Methyl[1,2,4]triazolo[4,3-b]pyridazine #
Database identifiers
- CAS
18591-78-1- PubChem CID
- 584075
- DTXSID
DTXSID40342734- Nikkaji
- J101.160J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 157 · 157-159 °C(Solv: 1,4-dioxane (123-91-1))
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 0.82 · 0.82±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- Safety Statements
- 24 · 24/25
- HS Code
- 29339900 · 29339900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
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Related reactions
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Compound notes
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